data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -2.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 4.25 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 GLN 5.17 0.96 0 50 HIS 0.28 3.68 0 10 THR -0.46 -0.55 1 11 GLU -7.68 -2.74 1 12 PHE -4.85 -1.99 1 13 ILE -2.55 -1.36 1 14 SER -3.92 -1.39 1 15 ARG -5.44 -1.64 1 16 HIS -6.02 -0.79 1 17 ASN -1.14 -1.89 1 18 ILE 4.25 3.43 1 19 GLU -0.56 0.09 1 21 ILE 1.80 -0.18 1 22 PHE 0.24 1.49 1 23 THR 0.38 -0.12 1 24 PHE -1.53 1.40 1 25 VAL -3.04 -0.80 1 26 ASP -2.24 -0.68 1 27 HIS 2.98 4.10 1 28 ARG 3.25 2.60 1 30 VAL 5.38 3.90 1 31 ALA 1.11 1.38 1 32 THR 4.45 3.50 1 33 VAL -2.81 -1.54 1 35 TYR -2.18 -0.35 1 36 GLN 1.34 0.09 1 38 GLN 4.83 2.88 1 39 GLU -0.05 1.08 1 40 LEU -0.08 0.22 1 41 LEU 1.80 1.52 1 43 LYS -2.98 -1.64 1 44 ASN -0.73 0.60 1 45 ILE 4.61 4.04 1 46 VAL 4.93 3.43 1 47 GLU 2.58 1.77 1 48 PHE 0.14 0.19 1 52 GLU 2.48 2.02 1 53 ASP -2.52 0.02 1 54 GLN 5.70 4.79 1 55 GLN 5.21 3.34 1 56 LEU 3.55 2.77 1 57 LEU 3.00 2.82 1 58 ARG 4.96 4.38 1 59 ASP 4.24 3.35 1 60 SER 5.28 4.38 1 61 PHE 5.32 4.27 1 62 GLN 3.74 3.06 1 63 GLN 3.24 2.67 1 64 VAL 5.37 3.70 1 65 VAL 3.63 2.52 1 66 LYS 1.92 1.70 1 67 LEU 0.00 -0.85 1 68 LYS 3.00 1.54 1 70 GLN -1.12 -0.52 1 71 VAL -0.61 -0.31 1 72 LEU -4.24 -1.33 1 73 SER -3.11 -1.27 1 74 VAL -4.97 -1.96 1 75 MET -3.94 -1.48 1 76 PHE -2.98 -1.25 1 77 ARG -2.58 -1.18 1 78 PHE -6.87 -2.08 1 79 ARG 0.68 -0.45 1 80 SER -1.05 0.07 1 81 LYS 4.25 2.90 1 82 ASN 1.07 -0.34 1 84 GLU -3.29 -1.67 1 85 TRP -2.19 -1.74 1 86 LEU -3.37 -1.85 1 87 TRP 1.88 1.64 1 88 MET -3.92 -2.79 1 89 ARG -2.75 -1.21 1 90 THR -0.40 1.35 1 91 SER -2.15 -1.50 1 92 SER -4.52 -1.37 1 93 PHE -3.38 -1.11 1 94 THR -0.78 -0.58 1 95 PHE -2.41 -0.28 1 96 GLN -3.60 -1.55 1 97 ASN -0.28 0.78 1 99 TYR 0.75 0.22 1 100 SER -2.41 -0.70 1 101 ASP 1.35 1.38 1 102 GLU -1.76 -0.57 1 103 ILE 1.51 1.10 1 104 GLU -0.63 1.40 1 105 TYR -2.57 -2.06 1 106 ILE -3.14 -0.31 1 107 ILE -0.53 -0.57 1 109 THR 1.30 0.60 1 110 ASN -2.17 -0.19 1 111 THR -1.22 -0.10 1 112 ASN 0.01 0.47 1 113 VAL -0.40 -0.17 1 114 LYS 0.17 0.37 1 115 ASN -0.15 -0.06 1 116 SER 0.35 0.31 1 117 SER 0.34 0.35 1 118 GLN -0.21 0.13 1 119 GLU 0.29 1.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 4.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 GLN 5.17 -4.21 0 50 HIS 0.28 3.40 0 10 THR -0.46 -0.09 1 11 GLU -7.68 4.94 1 12 PHE -4.85 2.86 1 13 ILE -2.55 1.19 1 14 SER -3.92 2.53 1 15 ARG -5.44 3.80 1 16 HIS -6.02 5.23 1 17 ASN -1.14 -0.75 1 18 ILE 4.25 -0.82 1 19 GLU -0.56 0.65 1 21 ILE 1.80 -1.98 1 22 PHE 0.24 1.25 1 23 THR 0.38 -0.50 1 24 PHE -1.53 2.93 1 25 VAL -3.04 2.24 1 26 ASP -2.24 1.56 1 27 HIS 2.98 1.12 1 28 ARG 3.25 -0.65 1 30 VAL 5.38 -1.48 1 31 ALA 1.11 0.27 1 32 THR 4.45 -0.95 1 33 VAL -2.81 1.27 1 35 TYR -2.18 1.83 1 36 GLN 1.34 -1.25 1 38 GLN 4.83 -1.95 1 39 GLU -0.05 1.13 1 40 LEU -0.08 0.30 1 41 LEU 1.80 -0.28 1 43 LYS -2.98 1.34 1 44 ASN -0.73 1.33 1 45 ILE 4.61 -0.57 1 46 VAL 4.93 -1.50 1 47 GLU 2.58 -0.81 1 48 PHE 0.14 0.05 1 52 GLU 2.48 -0.46 1 53 ASP -2.52 2.54 1 54 GLN 5.70 -0.91 1 55 GLN 5.21 -1.87 1 56 LEU 3.55 -0.78 1 57 LEU 3.00 -0.18 1 58 ARG 4.96 -0.58 1 59 ASP 4.24 -0.89 1 60 SER 5.28 -0.90 1 61 PHE 5.32 -1.05 1 62 GLN 3.74 -0.68 1 63 GLN 3.24 -0.57 1 64 VAL 5.37 -1.67 1 65 VAL 3.63 -1.11 1 66 LYS 1.92 -0.22 1 67 LEU 0.00 -0.85 1 68 LYS 3.00 -1.46 1 70 GLN -1.12 0.60 1 71 VAL -0.61 0.30 1 72 LEU -4.24 2.91 1 73 SER -3.11 1.84 1 74 VAL -4.97 3.01 1 75 MET -3.94 2.46 1 76 PHE -2.98 1.73 1 77 ARG -2.58 1.40 1 78 PHE -6.87 4.79 1 79 ARG 0.68 -1.13 1 80 SER -1.05 1.12 1 81 LYS 4.25 -1.35 1 82 ASN 1.07 -1.41 1 84 GLU -3.29 1.62 1 85 TRP -2.19 0.45 1 86 LEU -3.37 1.52 1 87 TRP 1.88 -0.24 1 88 MET -3.92 1.13 1 89 ARG -2.75 1.54 1 90 THR -0.40 1.75 1 91 SER -2.15 0.65 1 92 SER -4.52 3.15 1 93 PHE -3.38 2.27 1 94 THR -0.78 0.20 1 95 PHE -2.41 2.13 1 96 GLN -3.60 2.05 1 97 ASN -0.28 1.06 1 99 TYR 0.75 -0.53 1 100 SER -2.41 1.71 1 101 ASP 1.35 0.03 1 102 GLU -1.76 1.19 1 103 ILE 1.51 -0.41 1 104 GLU -0.63 2.03 1 105 TYR -2.57 0.51 1 106 ILE -3.14 2.83 1 107 ILE -0.53 -0.04 1 109 THR 1.30 -0.70 1 110 ASN -2.17 1.98 1 111 THR -1.22 1.12 1 112 ASN 0.01 0.46 1 113 VAL -0.40 0.23 1 114 LYS 0.17 0.20 1 115 ASN -0.15 0.09 1 116 SER 0.35 -0.04 1 117 SER 0.34 0.01 1 118 GLN -0.21 0.34 1 119 GLU 0.29 1.27 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 MET -3.94 1.68 0 50 HIS 0.28 -1.24 0 10 THR -0.46 0.08 1 11 GLU -7.68 1.21 1 12 PHE -4.85 0.48 1 13 ILE -2.55 0.95 1 14 SER -3.92 0.89 1 15 ARG -5.44 1.45 1 16 HIS -6.02 1.08 1 17 ASN -1.14 0.41 1 18 ILE 4.25 -0.28 1 19 GLU -0.56 -0.08 1 21 ILE 1.80 0.03 1 22 PHE 0.24 -0.46 1 23 THR 0.38 0.15 1 24 PHE -1.53 -0.15 1 25 VAL -3.04 0.30 1 26 ASP -2.24 -0.10 1 27 HIS 2.98 -0.45 1 28 ARG 3.25 -0.05 1 30 VAL 5.38 -0.80 1 31 ALA 1.11 -0.21 1 32 THR 4.45 -0.21 1 33 VAL -2.81 0.41 1 35 TYR -2.18 -0.16 1 36 GLN 1.34 -0.41 1 38 GLN 4.83 -0.42 1 39 GLU -0.05 -0.21 1 40 LEU -0.08 -0.43 1 41 LEU 1.80 -0.69 1 43 LYS -2.98 0.41 1 44 ASN -0.73 -0.20 1 45 ILE 4.61 0.16 1 46 VAL 4.93 -0.60 1 47 GLU 2.58 -0.38 1 48 PHE 0.14 -0.47 1 52 GLU 2.48 -0.20 1 53 ASP -2.52 0.33 1 54 GLN 5.70 -0.28 1 55 GLN 5.21 -0.49 1 56 LEU 3.55 -0.15 1 57 LEU 3.00 -0.38 1 58 ARG 4.96 -0.48 1 59 ASP 4.24 -0.25 1 60 SER 5.28 -0.35 1 61 PHE 5.32 -0.63 1 62 GLN 3.74 -0.22 1 63 GLN 3.24 -0.26 1 64 VAL 5.37 -0.38 1 65 VAL 3.63 -0.31 1 66 LYS 1.92 -0.12 1 67 LEU 0.00 0.04 1 68 LYS 3.00 -0.32 1 70 GLN -1.12 0.23 1 71 VAL -0.61 0.74 1 72 LEU -4.24 0.42 1 73 SER -3.11 1.42 1 74 VAL -4.97 0.54 1 76 PHE -2.98 0.35 1 77 ARG -2.58 0.21 1 78 PHE -6.87 0.84 1 79 ARG 0.68 -0.27 1 80 SER -1.05 0.31 1 81 LYS 4.25 -0.73 1 82 ASN 1.07 -0.08 1 83 GLN 5.17 -0.99 1 84 GLU -3.29 -0.08 1 85 TRP -2.19 0.49 1 86 LEU -3.37 0.43 1 87 TRP 1.88 -0.16 1 88 MET -3.92 0.80 1 89 ARG -2.75 0.95 1 90 THR -0.40 1.19 1 91 SER -2.15 0.97 1 92 SER -4.52 1.42 1 93 PHE -3.38 0.31 1 94 THR -0.78 0.10 1 95 PHE -2.41 -0.13 1 96 GLN -3.60 0.13 1 97 ASN -0.28 -0.46 1 99 TYR 0.75 0.06 1 100 SER -2.41 0.12 1 101 ASP 1.35 -0.13 1 102 GLU -1.76 -0.06 1 103 ILE 1.51 -0.27 1 104 GLU -0.63 0.08 1 105 TYR -2.57 0.20 1 106 ILE -3.14 0.24 1 107 ILE -0.53 0.60 1 109 THR 1.30 0.06 1 110 ASN -2.17 0.37 1 111 THR -1.22 0.47 1 112 ASN 0.01 0.46 1 113 VAL -0.40 0.10 1 114 LYS 0.17 0.09 1 115 ASN -0.15 -0.06 1 116 SER 0.35 -0.09 1 117 SER 0.34 -0.01 1 118 GLN -0.21 0.02 1 119 GLU 0.29 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6597_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.01 _LACS_plot.Line_2_terminator_val_x_2 5.69 _LACS_plot.Line_2_terminator_val_y_2 1.86 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 HIS -6.02 2.34 0 10 THR -0.46 -2.05 1 11 GLU -7.68 -3.34 1 13 ILE -2.55 -1.71 1 14 SER -3.92 -1.30 1 15 ARG -5.44 -0.59 1 17 ASN -1.14 1.79 1 18 ILE 4.25 -0.50 1 19 GLU -0.56 0.72 1 21 ILE 1.80 1.19 1 22 PHE 0.24 1.48 1 23 THR 0.38 0.38 1 24 PHE -1.53 -2.31 1 25 VAL -3.04 -3.77 1 27 HIS 2.98 3.13 1 28 ARG 3.25 1.83 1 30 VAL 5.38 2.02 1 31 ALA 1.11 0.63 1 32 THR 4.45 1.04 1 33 VAL -2.81 -0.77 1 35 TYR -2.18 -1.18 1 38 GLN 4.83 0.89 1 39 GLU -0.05 -1.04 1 40 LEU -0.08 -1.47 1 41 LEU 1.80 0.26 1 43 LYS -2.98 -1.32 1 44 ASN -0.73 1.97 1 45 ILE 4.61 -0.70 1 46 VAL 4.93 1.63 1 47 GLU 2.58 0.92 1 48 PHE 0.14 -2.85 1 52 GLU 2.48 1.07 1 53 ASP -2.52 -0.51 1 54 GLN 5.70 1.57 1 55 GLN 5.21 1.42 1 56 LEU 3.55 2.78 1 57 LEU 3.00 1.29 1 58 ARG 4.96 3.82 1 59 ASP 4.24 2.74 1 60 SER 5.28 1.33 1 61 PHE 5.32 2.37 1 62 GLN 3.74 2.81 1 63 GLN 3.24 2.93 1 64 VAL 5.37 1.00 1 65 VAL 3.63 1.29 1 66 LYS 1.92 1.24 1 67 LEU 0.00 -0.79 1 68 LYS 3.00 0.10 1 70 GLN -1.12 -0.93 1 71 VAL -0.61 -0.12 1 72 LEU -4.24 -1.76 1 73 SER -3.11 -1.30 1 74 VAL -4.97 -4.34 1 75 MET -3.94 -1.15 1 76 PHE -2.98 -3.89 1 77 ARG -2.58 -2.60 1 78 PHE -6.87 -0.06 1 79 ARG 0.68 -0.82 1 80 SER -1.05 0.38 1 81 LYS 4.25 0.74 1 82 ASN 1.07 -1.08 1 83 GLN 5.17 -1.60 1 84 GLU -3.29 -0.91 1 85 TRP -2.19 -0.21 1 86 LEU -3.37 -0.57 1 87 TRP 1.88 -0.99 1 88 MET -3.92 -2.02 1 89 ARG -2.75 -0.33 1 90 THR -0.40 0.25 1 91 SER -2.15 -0.56 1 92 SER -4.52 -2.18 1 94 THR -0.78 0.82 1 95 PHE -2.41 -1.66 1 96 GLN -3.60 -1.92 1 99 TYR 0.75 0.36 1 100 SER -2.41 0.03 1 101 ASP 1.35 -0.81 1 102 GLU -1.76 -0.19 1 103 ILE 1.51 -0.21 1 104 GLU -0.63 -0.11 1 105 TYR -2.57 -2.94 1 106 ILE -3.14 -1.28 1 107 ILE -0.53 -1.83 1 109 THR 1.30 -1.20 1 110 ASN -2.17 -1.91 1 111 THR -1.22 -1.01 1 112 ASN 0.01 -0.53 1 113 VAL -0.40 -0.77 1 114 LYS 0.17 -0.44 1 115 ASN -0.15 -0.08 1 116 SER 0.35 -0.02 1 117 SER 0.34 -0.31 1 118 GLN -0.21 -1.08 1 stop_ save_